SCHEMBL26289546

SCHEMBL26289546

O=C(O)c1ccc([N+](=O)[O-])cc1C(=O)OCCN1CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.57
▸ KDM4E B2RXH2 2/20 0.57
▸ TDP1 Q9NUW8 1/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ KMT2A Q03164 4/20 0.50
▸ HPGD P15428 1/20 0.50
▸ LTA4H P09960 2/20 0.48
▸ PTGS2 P35354 2/20 0.48
▸ PTGS1 P23219 1/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ THPO P40225 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ PMP22 Q01453 1/20 0.46
▸ HRH3 Q9Y5N1 2/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL26289571 0.96 ALDH1A1 (0.56) ALDH1A1KDM4ETDP1SMN1; SMN2KMT2A
SCHEMBL26289553 0.93 ALDH1A1 (0.53) ALDH1A1KDM4ETDP1SMN1; SMN2KMT2A
SCHEMBL26289561 0.92 HRH3 (0.54) ALDH1A1KDM4ETDP1SMN1; SMN2KMT2A
SCHEMBL26289575 0.85 LMNA (0.53) ALDH1A1KDM4ESMN1; SMN2KMT2ALMNA
SCHEMBL26289579 0.84 ALDH1A1 (0.43) ALDH1A1KDM4ETDP1SMN1; SMN2HTT
SCHEMBL26289517 0.83 ALDH1A1 (0.67) ALDH1A1KDM4ETDP1SMN1; SMN2KMT2A
SCHEMBL17979851 0.82 ALDH1A1 (0.61) ALDH1A1KDM4ETDP1SMN1; SMN2KMT2A
SCHEMBL26289568 0.82 BCHE (0.48) ALDH1A1KDM4ETDP1SMN1; SMN2KMT2A
SCHEMBL26289608 0.81 KMT2A (0.55) ALDH1A1KDM4ETDP1KMT2AHPGD
SCHEMBL26289526 0.80 ALDH1A1 (0.59) ALDH1A1KDM4ETDP1SMN1; SMN2KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230288801-A1 RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-09-14 — — US disclosed
US-20230288801-A1 RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-09-14 — — US disclosed
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